input word = C00012546

Metabolite InformationStructural formula
Name Herbertenolide
(3aS-trans)-2,3,3a,9b-Tetrahydro-3a,8,9b-trimethylcyclopenta[c][1]benzopyran-4(1H)-one
Formula C15H18O2
Mw 230.13067982
CAS RN 86996-94-3
C_ID C00012546 ,
InChIKey AJPFVAMFLSGCAO-PTTDRDKLNA-N
InChICode InChI=1S/C15H18O2/c1-10-5-6-12-11(9-10)14(2)7-4-8-15(14,3)13(16)17-12/h5-6,9H,4,7-8H2,1-3H3/t14-,15-/m1/s1
SMILES Cc1ccc2c(c1)[C@@]1(C)CCC[C@]1(C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHerbertaceaeHerbertus sakuraii Ref.
--Herberta adunca Ref.
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